In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 20 | No |
Popular Name: 2,2,2-trifluoro-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone 2,2,2-trifluoro-1-[(2S)-2-(4-met…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.22 | 2.89 | -13.94 | 0 | 5 | 0 | 44 | 293.289 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.22 | 5.24 | -51.88 | 1 | 5 | 1 | 45 | 294.297 | 2 | ↓ |